conda | Repository with conda recipes for LAMMPS , GROMACS , etc

 by   plumed Shell Version: Current License: No License

kandi X-RAY | conda Summary

kandi X-RAY | conda Summary

conda is a Shell library. conda has no bugs, it has no vulnerabilities and it has low support. You can download it from GitHub.

Repository with conda recipes for LAMMPS, GROMACS, etc (WIP)
Support
    Quality
      Security
        License
          Reuse

            kandi-support Support

              conda has a low active ecosystem.
              It has 6 star(s) with 5 fork(s). There are 2 watchers for this library.
              OutlinedDot
              It had no major release in the last 6 months.
              There are 0 open issues and 1 have been closed. On average issues are closed in 2 days. There are no pull requests.
              It has a neutral sentiment in the developer community.
              The latest version of conda is current.

            kandi-Quality Quality

              conda has 0 bugs and 0 code smells.

            kandi-Security Security

              conda has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.
              conda code analysis shows 0 unresolved vulnerabilities.
              There are 0 security hotspots that need review.

            kandi-License License

              conda does not have a standard license declared.
              Check the repository for any license declaration and review the terms closely.
              OutlinedDot
              Without a license, all rights are reserved, and you cannot use the library in your applications.

            kandi-Reuse Reuse

              conda releases are not available. You will need to build from source code and install.
              Installation instructions, examples and code snippets are available.

            Top functions reviewed by kandi - BETA

            kandi's functional review helps you automatically verify the functionalities of the libraries and avoid rework.
            Currently covering the most popular Java, JavaScript and Python libraries. See a Sample of conda
            Get all kandi verified functions for this library.

            conda Key Features

            No Key Features are available at this moment for conda.

            conda Examples and Code Snippets

            No Code Snippets are available at this moment for conda.

            Community Discussions

            QUESTION

            How to install a package using pip in editable mode with pyproject.toml?
            Asked 2022-Mar-19 at 23:06

            When a project is specified only via pyproject.toml (i.e. no setup.{py,cfg} files), how can it be installed in editable mode via pip (i.e. python -m pip install -e .)?

            I tried both setuptools and poetry for the build system, but neither worked:

            ...

            ANSWER

            Answered 2022-Mar-19 at 23:06

            PEP 660 – Editable installs for pyproject.toml based builds defines how to build projects that only use pyproject.toml. Build tools must implement PEP 660 for editable installs to work. You need a front-end (such as pip ≥ 21.3), backend. The statuses of some popular backends are:

            Source https://stackoverflow.com/questions/69711606

            QUESTION

            module 'numpy.distutils.__config__' has no attribute 'blas_opt_info'
            Asked 2022-Mar-17 at 10:50

            I'm trying to study the neural-network-and-deep-learning (http://neuralnetworksanddeeplearning.com/chap1.html). Using the updated version for Python 3 by MichalDanielDobrzanski (https://github.com/MichalDanielDobrzanski/DeepLearningPython). Tried to run it in my command console and it gives an error below. I've tried uninstalling and reinstalling setuptools, theano, and numpy but none have worked thus far. Any help is very appreciated!!

            Here's the full error log:

            ...

            ANSWER

            Answered 2022-Feb-17 at 14:12

            I had the same issue and solved it downgrading numpy to version 1.20.3 by:

            Source https://stackoverflow.com/questions/70839312

            QUESTION

            Conflicting Python versions in SageMaker Studio notebook with Python 3.8 kernel
            Asked 2022-Feb-25 at 13:00

            I'm trying to run a SageMaker kernel with Python 3.8 in SageMaker Studio, and the notebook appears to use a separate distribution of Python 3.7. The running app is indicated as tensorflow-2.6-cpu-py38-ubuntu20.04-v1. When I run !python3 -V I get Python 3.8.2. However, the Python instance inside the notebook is different:

            ...

            ANSWER

            Answered 2022-Feb-25 at 13:00

            are you still facing this issue?

            I am in eu-west-2 using a SageMaker Studio notebook and the TensorFlow 2.6 Python 3.8 CPU Optimized image (running app is tensorflow-2.6-cpu-py38-ubuntu20.04-v1).

            When I run the below commands, I get the right outputs.

            Source https://stackoverflow.com/questions/70486162

            QUESTION

            Does it make sense to use Conda + Poetry?
            Asked 2022-Feb-14 at 10:04

            Does it make sense to use Conda + Poetry for a Machine Learning project? Allow me to share my (novice) understanding and please correct or enlighten me:

            As far as I understand, Conda and Poetry have different purposes but are largely redundant:

            • Conda is primarily a environment manager (in fact not necessarily Python), but it can also manage packages and dependencies.
            • Poetry is primarily a Python package manager (say, an upgrade of pip), but it can also create and manage Python environments (say, an upgrade of Pyenv).

            My idea is to use both and compartmentalize their roles: let Conda be the environment manager and Poetry the package manager. My reasoning is that (it sounds like) Conda is best for managing environments and can be used for compiling and installing non-python packages, especially CUDA drivers (for GPU capability), while Poetry is more powerful than Conda as a Python package manager.

            I've managed to make this work fairly easily by using Poetry within a Conda environment. The trick is to not use Poetry to manage the Python environment: I'm not using commands like poetry shell or poetry run, only poetry init, poetry install etc (after activating the Conda environment).

            For full disclosure, my environment.yml file (for Conda) looks like this:

            ...

            ANSWER

            Answered 2022-Feb-14 at 10:04

            As I wrote in the comment, I've been using a very similar Conda + Poetry setup in a data science project for the last year, for reasons similar to yours, and it's been working fine. The great majority of my dependencies are specified in pyproject.toml, but when there's something that's unavailable in PyPI, I add it to environment.yml.

            Some additional tips:

            1. Add Poetry, possibly with a version number (if needed), as a dependency in environment.yml, so that you get Poetry installed when you run conda env create, along with Python and other non-PyPI dependencies.
            2. Consider adding conda-lock, which gives you lock files for Conda dependencies, just like you have poetry.lock for Poetry dependencies.

            Source https://stackoverflow.com/questions/70851048

            QUESTION

            Tensorflow setup on RStudio/ R | CentOS
            Asked 2022-Feb-11 at 09:36

            For the last 5 days, I am trying to make Keras/Tensorflow packages work in R. I am using RStudio for installation and have used conda, miniconda, virtualenv but it crashes each time in the end. Installing a library should not be a nightmare especially when we are talking about R (one of the best statistical languages) and TensorFlow (one of the best deep learning libraries). Can someone share a reliable way to install Keras/Tensorflow on CentOS 7?

            Following are the steps I am using to install tensorflow in RStudio.

            Since RStudio simply crashes each time I run tensorflow::tf_config() I have no way to check what is going wrong.

            ...

            ANSWER

            Answered 2022-Jan-16 at 00:08

            Perhaps my failed attempts will help someone else solve this problem; my approach:

            • boot up a clean CentOS 7 vm
            • install R and some dependencies

            Source https://stackoverflow.com/questions/70645074

            QUESTION

            pytube: AttributeError: 'NoneType' object has no attribute 'span'
            Asked 2022-Feb-09 at 16:58

            I just downloaded pytube (version 11.0.1) and started with this code snippet from here:

            ...

            ANSWER

            Answered 2021-Nov-22 at 07:03

            Found this issue, pytube v11.0.1. It's a little late for me, but if no one has submitted a fix tomorrow I'll check it out.

            in C:\Python38\lib\site-packages\pytube\parser.py

            Change this line:

            152: func_regex = re.compile(r"function\([^)]+\)")

            to this:

            152: func_regex = re.compile(r"function\([^)]?\)")

            The issue is that the regex expects a function with an argument, but I guess youtube added some src that includes non-paramterized functions.

            Source https://stackoverflow.com/questions/70060263

            QUESTION

            How to fix error when building conda package related to "Icon" file?
            Asked 2022-Feb-07 at 15:14

            I honestly can't figure out what is happening with this error. I thought it was something in my manifest file but apparently it's not.

            Note, this directory is in my Google Drive.

            Here is my MANIFEST.in file:

            ...

            ANSWER

            Answered 2022-Feb-07 at 15:14

            there are a few symptoms I would like to suggest looking into:

            1. There is a WARNING in your error log SetuptoolsDeprecationWarning: setup.py install is deprecated. Use build and pip and other standards-based tools. You have MANIFEST.in, setup.py and setup.cfg probably conflicting between them. Because setup.py is the build script for setuptools. It tells setuptools about your package (such as the name and version) as well as which code files to include. Also, An existing generated MANIFEST will be regenerated without sdist comparing its modification time to the one of MANIFEST.in or setup.py, as explained here.

            Please refer to Building and Distributing Packages with Setuptools, also Configuring setup() using setup.cfg files and Quickstart for more information

            1. Maybe not so important, but another thing worth looking into is the fact that there are 2 different python distributions being used at different stages, as Python 3.10 is used at: Using pip 22.0.2 from $PREFIX/lib/python3.10/site-packages/pip (python 3.10) (it is also in your conda dependencies) and Python 3.8 is used at: File "/Users/jespinoz/anaconda3/lib/python3.8/site-packages/conda_build/tarcheck.py", line 53, in info_files raise Exception('info/files') which is where the error happens. So maybe another configuration conflict related to this.

            Source https://stackoverflow.com/questions/70934699

            QUESTION

            Cannot find conda info. Please verify your conda installation on EMR
            Asked 2022-Feb-05 at 00:17

            I am trying to install conda on EMR and below is my bootstrap script, it looks like conda is getting installed but it is not getting added to environment variable. When I manually update the $PATH variable on EMR master node, it can identify conda. I want to use conda on Zeppelin.

            I also tried adding condig into configuration like below while launching my EMR instance however I still get the below mentioned error.

            ...

            ANSWER

            Answered 2022-Feb-05 at 00:17

            I got the conda working by modifying the script as below, emr python versions were colliding with the conda version.:

            Source https://stackoverflow.com/questions/70901724

            QUESTION

            Cannot set up a conda environment with python 3.10
            Asked 2022-Jan-31 at 10:35

            I am trying to set up a conda environment with python 3.10 installed. For some reason, no install commands for additional packages are working. For example, if I run conda install pandas, I get the error:

            ...

            ANSWER

            Answered 2021-Oct-08 at 08:42

            Thats a bug in conda, you can read more about it here: https://github.com/conda/conda/issues/10969

            Right now there is a PR to fix it but its not a released version. For now, just stick with

            Source https://stackoverflow.com/questions/69481608

            QUESTION

            Use mysql.connector , but get ImportError: Missing optional dependency 'SQLAlchemy'
            Asked 2022-Jan-25 at 16:49

            I work on a program for two months. Today I suddenly got an error when connecting to the database while using mysql.connector.

            Interestingly, this error is not seen when running previous versions.

            ...

            ANSWER

            Answered 2022-Jan-25 at 16:49

            I just ran into something similar. It looks like Pandas 1.4 was released on January 22, 2022: https://pandas.pydata.org/docs/dev/whatsnew/v1.4.0.html

            It has an "optional" dependency on SQLAlchemy, which is required to communicate with any database other than sqlite now, as the comment by snakecharmerb mentioned. Once I added that to my requirements and installed SQLAlchemy, it resolved my problem.

            Source https://stackoverflow.com/questions/70836912

            Community Discussions, Code Snippets contain sources that include Stack Exchange Network

            Vulnerabilities

            No vulnerabilities reported

            Install conda

            First you should install conda. In order to do so execute the commands below:. Here /path/to/conda should be the path where you want to install conda. You can choose it in your home so that you will have write permission to it. You might want to use a separate environment just for the Lugano tutorial. You can do it using the following commands. The second command should be repeated every time you open a new shell. In case you have already conda installed, by working in a separate environment you will make sure that there will not be interference between packages specifically needed for this tutorial and packages that you have already installed.
            This command installs a special version of PLUMED 2.5.1 that also includes the optional dimred module.
            This command installs a special version of GROMACS 2018.6 pre-patched with PLUMED. Patching is done in runtime mode, and should by default pick the PLUMED library installed on conda in the same environment, using the command above.
            This command installs a special version of LAMMPS 2019, June, pre-patched with PLUMED. Patching is done in runtime mode, and should by default pick the PLUMED library installed on conda in the same environment, using the command above.
            Using conda you might also install other software that will be used during the workshop. You will likely need these python packages:.

            Support

            For any new features, suggestions and bugs create an issue on GitHub. If you have any questions check and ask questions on community page Stack Overflow .
            Find more information at:

            Find, review, and download reusable Libraries, Code Snippets, Cloud APIs from over 650 million Knowledge Items

            Find more libraries
            CLONE
          • HTTPS

            https://github.com/plumed/conda.git

          • CLI

            gh repo clone plumed/conda

          • sshUrl

            git@github.com:plumed/conda.git

          • Stay Updated

            Subscribe to our newsletter for trending solutions and developer bootcamps

            Agree to Sign up and Terms & Conditions

            Share this Page

            share link